CID 3046643

Brn 1177371

Structural Information

Molecular Formula
C25H32N2O4
SMILES
C1COCCN1CC(CN2CCOCC2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H32N2O4/c28-25(24(21-7-3-1-4-8-21)22-9-5-2-6-10-22)31-23(19-26-11-15-29-16-12-26)20-27-13-17-30-18-14-27/h1-10,23-24H,11-20H2
InChIKey
FDYBQYRLHBUOBX-UHFFFAOYSA-N
Compound name
1,3-dimorpholin-4-ylpropan-2-yl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.2362 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.24348 203.6
[M+Na]+ 447.22542 200.8
[M-H]- 423.22892 210.9
[M+NH4]+ 442.27002 205.1
[M+K]+ 463.19936 199.4
[M+H-H2O]+ 407.23346 190.1
[M+HCOO]- 469.23440 211.2
[M+CH3COO]- 483.25005 208.0
[M+Na-2H]- 445.21087 202.2
[M]+ 424.23565 197.2
[M]- 424.23675 197.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.